ergo
integral_info.h File Reference

Defines IntegralInfo object, providing the coefficients needed for integral evaluation. More...

#include "realtype.h"
#include "monomial_info.h"
#include "hermite_conversion_prep.h"
#include "boysfunction.h"
#include "multipole_prep.h"
#include "mm_limit_table.h"

Go to the source code of this file.

Classes

struct  basis_func_term_struct
 
struct  basis_func_poly_struct
 
struct  poly_12_term_struct
 
struct  poly_12_struct
 
class  IntegralInfo
 Contains coefficients needed for quick integral evaluation. More...
 
struct  JK::ExchWeights
 

Namespaces

 JK
 

Macros

#define MAX_NO_OF_TERMS_IN_BASIS_FUNC_POLY   12
 
#define MAX_NO_OF_POLY_12_TERMS   180
 
#define MAX_NO_OF_BASIS_FUNC_POLYS   50
 

Functions

int get_poly_info_from_shell_type (int *polyid_start, int *poly_count, int shellType)
 
int get_no_of_basis_func_polys_used_from_no_of_shell_types (int no_of_shell_types)
 
int get_shell_type_from_basis_func_poly_id (int basfuncpolyid)
 

Detailed Description

Defines IntegralInfo object, providing the coefficients needed for integral evaluation.

Author
: Elias Rudberg responsible

Macro Definition Documentation

◆ MAX_NO_OF_BASIS_FUNC_POLYS

#define MAX_NO_OF_BASIS_FUNC_POLYS   50

◆ MAX_NO_OF_POLY_12_TERMS

#define MAX_NO_OF_POLY_12_TERMS   180

◆ MAX_NO_OF_TERMS_IN_BASIS_FUNC_POLY

#define MAX_NO_OF_TERMS_IN_BASIS_FUNC_POLY   12

Function Documentation

◆ get_no_of_basis_func_polys_used_from_no_of_shell_types()

int get_no_of_basis_func_polys_used_from_no_of_shell_types ( int  no_of_shell_types)

◆ get_poly_info_from_shell_type()

int get_poly_info_from_shell_type ( int *  polyid_start,
int *  poly_count,
int  shellType 
)

◆ get_shell_type_from_basis_func_poly_id()

int get_shell_type_from_basis_func_poly_id ( int  basfuncpolyid)